N-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide

C19H16FN3O5S2 — CID 91176986

IUPACN-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=C(NNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C19H16FN3O5S2/c20-15-6-10-17(11-7-15)29(25,26)22-16-8-12-18(13-9-16)30(27,28)23-21-19(24)14-4-2-1-3-5-14/h1-13,22-23H,(H,21,24)
InChIKeyGPGGTDQGLJSFFA-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.25
Rot. Bonds7

About N-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide

N-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 91176986) has the molecular formula C19H16FN3O5S2 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide
PubChem CID91176986
Molecular FormulaC19H16FN3O5S2
Molecular Weight449.49 g/mol
Exact Mass449.05
IUPAC NameN-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=C(NNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C19H16FN3O5S2/c20-15-6-10-17(11-7-15)29(25,26)22-16-8-12-18(13-9-16)30(27,28)23-21-19(24)14-4-2-1-3-5-14/h1-13,22-23H,(H,21,24)
InChIKeyGPGGTDQGLJSFFA-UHFFFAOYSA-N
XLogP2.25
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide (CID 91176986) is N-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide is O=C(NNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is GPGGTDQGLJSFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O5S2/c20-15-6-10-17(11-7-15)29(25,26)22-16-8-12-18(13-9-16)30(27,28)23-21-19(24)14-4-2-1-3-5-14/h1-13,22-23H,(H,21,24).
What are the key properties of N-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide?
N-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 449.49 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzamidosulfamoyl)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 91176986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).